HRID1212690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID14795865

2,3-Dihydro-1H-isoindol-4-ol

C8H9NO

结构：C=C(C)c1cc(C(=O)O)c(OCc2ccccc2)cc1OCc1ccccc1

HCID49864016

5-(1-Methylethenyl)-2,4-bis(phenylmethoxy)benzoic acid

C24H22O4

PRODUCTS

生成物

结构：C=C(C)c1cc(C(=O)N2Cc3cccc(O)c3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID59263149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25035bd0aa004b0a8f7e62fc68cb3fb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BrH:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([C:26](=[CH2:27])[CH3:28])[c:16]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:17]1.[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[ClH:40].[OH:30][c:31]1[c:32]2[c:36]([cH:37][cH:38][cH:39]1)[CH2:35][NH:34][CH2:33]2.[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:13])[N:34]2[CH2:33][c:32]3[c:31]([OH:30])[cH:39][cH:38][cH:37][c:36]3[CH2:35]2)[cH:14][c:15]([C:26](=[CH2:27])[CH3:28])[c:16]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:17]1